[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate

C25H26N2O7S — CID 2358467

IUPAC[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O
InChIInChI=1S/C25H26N2O7S/c1-3-27(16-18-9-5-4-6-10-18)24(29)17-34-25(30)20-15-19(13-14-22(20)28)35(31,32)26-21-11-7-8-12-23(21)33-2/h4-15,26,28H,3,16-17H2,1-2H3
InChIKeyVWSKPCSBTMNNOX-UHFFFAOYSA-N
MW498.56 g/mol
LogP3.41
Rot. Bonds10

About [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate

[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate (PubChem CID 2358467) has the molecular formula C25H26N2O7S and a molecular weight of 498.56 g/mol. Its IUPAC name is [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate
PubChem CID2358467
Molecular FormulaC25H26N2O7S
Molecular Weight498.56 g/mol
Exact Mass498.15
IUPAC Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O
InChIInChI=1S/C25H26N2O7S/c1-3-27(16-18-9-5-4-6-10-18)24(29)17-34-25(30)20-15-19(13-14-22(20)28)35(31,32)26-21-11-7-8-12-23(21)33-2/h4-15,26,28H,3,16-17H2,1-2H3
InChIKeyVWSKPCSBTMNNOX-UHFFFAOYSA-N
XLogP3.41
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.56
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate?
The IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate (CID 2358467) is [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate is CCN(Cc1ccccc1)C(=O)COC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O.
What is the InChIKey of [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate?
The InChIKey is VWSKPCSBTMNNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O7S/c1-3-27(16-18-9-5-4-6-10-18)24(29)17-34-25(30)20-15-19(13-14-22(20)28)35(31,32)26-21-11-7-8-12-23(21)33-2/h4-15,26,28H,3,16-17H2,1-2H3.
What are the key properties of [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate?
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate has a molecular weight of 498.56 g/mol, XLogP of 3.41, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2358467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).